JFE
Summary
| Name: | 3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine |
| Formula: | C19 H18 N4 O |
| Formal charge: | 0 |
| Formula weight: | 318.372 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H18N4O/c1-24-16-4-2-3-13(9-16)12-23-8-7-14-5-6-15(10-18(14)23)17-11-19(20)22-21-17/h2-11H,12H2,1H3,(H3,20,21,22) |
| InChIKey | InChI | 1.03 | HOUGYQANDNDSLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n4)c1 |
| SMILES | CACTVS | 3.385 | COc1cccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N |
